UCSF

ZINC06565169

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 23 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 6.14 -15.76 1 8 0 102 318.333 6
Mid Mid (pH 6-8) 2.13 5.59 -42.38 1 8 1 102 319.341 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )